Details of the Drug

General Information of Drug (ID: DMLBCE5)

Drug Name
1-(1-Benzyl-2-biphenyl-4-yl-ethyl)-1H-imidazole
Synonyms
CHEMBL491222; AC1LAA5O; 1-(1-Benzyl-2-biphenyl-4-yl-ethyl)-1H-imidazole; BDBM50263812; 1-[1-benzyl-2-(4-phenylphenyl)ethyl]imidazole; 1-[1-phenyl-3-(4-phenylphenyl)propan-2-yl]imidazole; 1H-Imidazole, 1-[2-[1,1'-biphenyl]-4-yl-1-(phenylmethyl)ethyl]-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 338.4
Logarithm of the Partition Coefficient (xlogp) 5.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C24H22N2
IUPAC Name
1-[1-phenyl-3-(4-phenylphenyl)propan-2-yl]imidazole
Canonical SMILES
C1=CC=C(C=C1)CC(CC2=CC=C(C=C2)C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C24H22N2/c1-3-7-20(8-4-1)17-24(26-16-15-25-19-26)18-21-11-13-23(14-12-21)22-9-5-2-6-10-22/h1-16,19,24H,17-18H2
InChIKey
BHZGAVDQPKAVLD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
510040
ChEBI ID
CHEMBL491222
TTD ID
D0D7GG
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aromatase (CYP19A1) TTSZLWK CP19A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors. Bioorg Med Chem. 2008 Sep 15;16(18):8349-58.